| CAS Number | 882223-35-0 |
| Catalog Number | AG019HX2 |
| Chemical Name | 3-Chloro-6-(3,5-dimethyl-pyrazol-1-yl)-pyridine-2-carboxylic acid |
| IUPAC Name | 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C11H10ClN3O2/c1-6-5-7(2)15(14-6)9-4-3-8(12)10(13-9)11(16)17/h3-5H,1-2H3,(H,16,17) |
| InChI Key | QKBICGBMXFRLBL-UHFFFAOYSA-N |
| MDL Number | MFCD03965751 |
| Molecular Formula | C11H10ClN3O2 |
| Molecular Weight | 251.6690 |
| SMILES | CC1=NN(C2=NC(C(O)=O)=C(Cl)C=C2)C(C)=C1 |
| Synonyms | 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine-2-carboxylic acid,
882223-35-0,
MLS000053951,
AC1LXXCS,
CHEMBL1411832,
HMS2290B07,
ZINC2228893,
STK581076,
AKOS001038457,
MCULE-2615499800,
NE18624,
SMR000062327,
AB00420155-05,
Z56888777,
3-Chloro-6-(3,5-dimethyl-1H-pyrazole-1-yl)picolinic acid,
3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid,
C11H10ClN3O2,
CID1860644,
|
| Complexity | 302 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.67g/mol |
| Monoisotopic Mass | 251.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number